5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol

C12H13BrN2O2 — CID 175895495

IUPAC5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol
SMILESCOc1ccc(CN2C=CC(Br)=C(O)N2)cc1
InChIInChI=1S/C12H13BrN2O2/c1-17-10-4-2-9(3-5-10)8-15-7-6-11(13)12(16)14-15/h2-7,14,16H,8H2,1H3
InChIKeySYVDBULWAUMLFM-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.65
Rot. Bonds3

About 5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol

5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol (PubChem CID 175895495) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol.

Molecular Properties

Compound Name5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol
PubChem CID175895495
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol
SMILESCOc1ccc(CN2C=CC(Br)=C(O)N2)cc1
InChIInChI=1S/C12H13BrN2O2/c1-17-10-4-2-9(3-5-10)8-15-7-6-11(13)12(16)14-15/h2-7,14,16H,8H2,1H3
InChIKeySYVDBULWAUMLFM-UHFFFAOYSA-N
XLogP2.65
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methyl]-1,5-dihydropyrazole
CID 174845961
2-[(4-methoxyphenyl)methyl]-1H-pyridazine
CID 175776844
3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
CID 118618664
3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 10761993
2-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123890436
(4-methoxyphenyl)methanol
CID 7738
5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione
CID 90419144
5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 3069741
ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole
CID 144619919
(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504597
5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one
CID 121437389
1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097108

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol?
The IUPAC name of 5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol (CID 175895495) is 5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol.
What is the SMILES notation for 5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol?
The canonical SMILES for 5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol is COc1ccc(CN2C=CC(Br)=C(O)N2)cc1.
What is the InChIKey of 5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol?
The InChIKey is SYVDBULWAUMLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-17-10-4-2-9(3-5-10)8-15-7-6-11(13)12(16)14-15/h2-7,14,16H,8H2,1H3.
What are the key properties of 5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol?
5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol has a molecular weight of 297.15 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-ol is sourced from PubChem (CID 175895495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).